Influence of model parameters on a simulation of x-ray irradiated materials: example of XTANT code

0487422 - FZÚ 2018 RIV US eng C - Konferenční příspěvek (zahraniční konf.)
Medvedev, Nikita - Lipp, V.
Influence of model parameters on a simulation of x-ray irradiated materials: example of XTANT code.
Damage to VUV, EUV, and X-Ray Optics VI. Bellingham: SPIE, 2017 - (Juha, L.; Bajt, S.; Soufli, R.), s. 1-9, č. článku 10236. Proceedings of SPIE, 10236. ISBN 978-1-5106-0974-7. ISSN 0277-786X.
[Damage to VUV, EUV, and X-Ray Optics VI. Prague (CZ), 24.04.2017-27.04.2017]
Grant CEP: GA MŠMT LG15013
Institucionální podpora: RVO:68378271
Klíčová slova: transferable tight binding * silicon * free-electron laser * XTANT
Obor OECD: Fluids and plasma physics (including surface physics)

An analysis of influence of model parameters on the results of simulations of material properties under free-electron laser irradiation is presented. It is based on the in-house hybrid code XTANT (X-ray-induced Thermal And Nonthermal Transition) by N. Medvedev et al., Phys. Rev. B 91 (2015) 054113. It combines tight binding molecular dynamics for atoms with Monte Carlo treatment of high-energy electrons and core-holes, and Boltzmann collision integrals for nonadiabatic (electron-phonon) coupling. Different parameterizations of transferable tight binding method for silicon are analyzed.

Trvalý link: http://hdl.handle.net/11104/0282085